logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


APOLLO-ZINC00388049

 MMsINC code: MMs00048749
Type: Neutral
Formula: C6H3F4N
SMILES:   Fc1c(F)c(N)cc(F)c1F
InChI:   InChI=1/C6H3F4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=31.0902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.089 g/mol  logS: -2.28568  SlogP: 1.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.50269e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09871  Sterimol/B3: 2.60759
  Sterimol/B4: 5.12363  Sterimol/L: 8.96127 
 
 Surface and Volume Properties
  Accessible surface: 283.825  Positive charged surface: 122.697  Negative charged surface: 161.129  Volume: 114.875
  Hydrophobic surface: 225.745  Hydrophilic surface: 58.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.